pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.6	IUPAC digitized pKa	0	-1	CCOc1nc(C(=O)O)nc2c1N[C@@H](OCC)[C@H](OCC)N2,CCOc1nc(C(=O)[O-])[nH+]c2c1N[C@@H](OCC)[C@H](OCC)N2	CCOc1nc(C(=O)[O-])nc2c1N[C@@H](OCC)[C@H](OCC)N2	mol8136	CCOc1nc(C(=O)O)nc2c1NC(OCC)C(OCC)N2
